%chk=000004877.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004877

0 1
 N    2.128400      0.8353000     -0.1243000    
 N   0.8929000       1.231600     -0.4825000    
 N    3.321600      -1.181800      0.4840000    
 N    1.863500      -3.137100      0.4508000    
 N  -0.4502000      -3.011100     -0.1219000    
 C    3.188900       1.810200     -2.8500000E-02
 C    2.223800     -0.5037000      0.1136000    
 C    4.324500       1.443300      -1.009500    
 C    3.739100       1.842800       1.414800    
 C    2.748000       3.254600     -0.3722000    
 C   0.9591000      -1.021400     -0.1046000    
 C   0.1870000      9.6400000E-02 -0.4681000    
 C   -1.215400      0.1213000     -0.8060000    
 C   -2.218600      0.3168000      0.1572000    
 C   0.7966000      -2.390900      7.6700002E-02
 C   -3.574400      0.3287000     -0.2485000    
 C   -1.544100     -6.0100000E-02  -2.149700    
 C   -1.906200      0.5008000       1.514000    
 C   -3.887000      0.1449000      -1.605300    
 C   -2.877400     -4.8099998E-02  -2.548700    
 C    3.042900      -2.495300      0.6287000    
 C   -4.577800      0.5242000      0.7145000    
 C   -2.916000      0.6935000       2.457200    
 C   -4.249200      0.7051000       2.058300    
 H    5.111000       2.207100      -1.004500    
 H    4.806900      0.4936000     -0.7584000    
 H    3.946700       1.360300      -2.035600    
 H    4.207500      0.8978000       1.707100    
 H    4.502400       2.621700       1.527800    
 H    2.939900       2.051400       2.136000    
 H    3.583700       3.958900     -0.2866000    
 H    2.365900       3.322000      -1.397800    
 H    1.956000       3.601600      0.3020000    
 H  -0.7728000     -0.2128000      -2.901600    
 H  -0.8812000      0.5008000       1.876200    
 H   -4.922400      0.1504000      -1.939800    
 H   -3.132800     -0.1894000      -3.594800    
 H    3.876100      -3.122200      0.9278000    
 H   -5.626600      0.5372000      0.4253000    
 H   -1.263200      -2.480700     -0.3986000    
 H  -0.5248000      -4.009400      2.0900000E-02
 H   -2.661200      0.8347000       3.503700    
 H   -5.034800      0.8553000       2.793200    


%chk=000004877-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000004877

0 1
N 2.283153 0.936462 -0.172635
N 1.012939 1.339286 -0.596455
N 3.309402 -1.080567 0.819311
N 1.707856 -2.912408 1.133667
N -0.555663 -2.781170 0.582527
C 3.476146 1.847877 -0.303920
C 2.250058 -0.349233 0.342960
C 4.508491 1.158041 -1.234862
C 4.076499 2.066512 1.109884
C 3.018766 3.192017 -0.907798
C 0.888728 -0.796611 0.256395
C 0.161673 0.300359 -0.336753
C -1.257437 0.417451 -0.753222
C -2.357729 0.156900 0.152994
C 0.662134 -2.157617 0.656635
C -3.718378 0.247791 -0.348670
C -1.533844 0.814801 -2.071910
C -2.166418 -0.148004 1.544576
C -3.946785 0.628899 -1.711415
C -2.872449 0.924814 -2.551677
C 2.947933 -2.336743 1.194643
C -4.813226 -0.017814 0.539845
C -3.254725 -0.387892 2.388033
C -4.591053 -0.336049 1.880769
H 5.398397 1.804358 -1.338724
H 4.822951 0.187472 -0.816592
H 4.078108 0.994596 -2.239078
H 4.384982 1.106392 1.555597
H 4.962097 2.722358 1.033568
H 3.340195 2.552375 1.774738
H 3.899890 3.853585 -0.987922
H 2.581965 3.056834 -1.910758
H 2.261153 3.682033 -0.274529
H -0.694551 1.029144 -2.740738
H -1.149592 -0.165703 1.950286
H -4.977878 0.694465 -2.078484
H -3.048689 1.229830 -3.588683
H 3.745626 -2.973355 1.590055
H -5.835106 0.046248 0.147011
H -1.400934 -2.278424 0.320278
H -0.608186 -3.749554 0.895388
H -3.084919 -0.609704 3.447239
H -5.435284 -0.531752 2.550725


